МОЛЕКУЛЯРНО-ДИНАМИЧЕСКОЕ МОДЕЛИРОВАНИЕ СТРУКТУРЫ И СВОЙСТВ СТЕКЛООБРАЗНОЙ ПОДЛОЖКИ SiO2 В ШИРОКОМ ДИАПАЗОНЕ ТЕМПЕРАТУР

Abstract

F.V. Grigoriev's paper “Force Fields for Molecular-Dynamic Modeling of Sputter Deposition Process on Silicon Dioxide Film”, proposes a simple DESIL inter-ion potential for modeling amorphous SiO2 substrates widely used for thin film sputter deposition. This potential provides an important advantage when compared with popular potential of BKS due to the absence of a non-physical attraction region at short distances between particles. This is important when simulating SiO2 substrate sputtering where collisions between particles result in short-range proximity. In this case an artifact of particle inter-capture may be observed which distorts the simulation results. The purpose of this work is to demonstrate the potential for predicting the structural and thermodynamic characteristics of amorphous silicate glasses over a broad temperature range.